N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C11H12N6OS — CID 154747199

IUPACN-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1nscc1CN(C)c1ncnc2[nH]ncc12
InChIInChI=1S/C11H12N6OS/c1-17(4-7-5-19-16-11(7)18-2)10-8-3-14-15-9(8)12-6-13-10/h3,5-6H,4H2,1-2H3,(H,12,13,14,15)
InChIKeyYLKPPIJVUUPHIK-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.45
Rot. Bonds4

About N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 154747199) has the molecular formula C11H12N6OS and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID154747199
Molecular FormulaC11H12N6OS
Molecular Weight276.32 g/mol
Exact Mass276.08
IUPAC NameN-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1nscc1CN(C)c1ncnc2[nH]ncc12
InChIInChI=1S/C11H12N6OS/c1-17(4-7-5-19-16-11(7)18-2)10-8-3-14-15-9(8)12-6-13-10/h3,5-6H,4H2,1-2H3,(H,12,13,14,15)
InChIKeyYLKPPIJVUUPHIK-UHFFFAOYSA-N
XLogP1.45
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 154747199) is N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is COc1nscc1CN(C)c1ncnc2[nH]ncc12.
What is the InChIKey of N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is YLKPPIJVUUPHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS/c1-17(4-7-5-19-16-11(7)18-2)10-8-3-14-15-9(8)12-6-13-10/h3,5-6H,4H2,1-2H3,(H,12,13,14,15).
What are the key properties of N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 276.32 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 154747199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).